相关论文: Convergence of Nonequilibrium Langevin Dynamics fo…

Several numerical schemes are proposed for the solution of Nonequilibrium Langevin Dynamics (NELD), and the rate of convergence is analyzed. Due to the special deforming boundary conditions used, care must be taken when using standard…

It is very common with molecular dynamics and other simulation techniques to apply Lees-Edwards periodic boundary conditions (PBCs) for the simulation of shear flow. However the behavior of a complex liquid can be quite different under…

Langevin dynamics (LD) has been proven to be a powerful technique for optimizing a non-convex objective as an efficient algorithm to find local minima while eventually visiting a global minimum on longer time-scales. LD is based on the…

We study the exponential convergence to the stationary state for nonequilibrium Langevin dynamics, by a perturbative approach based on hypocoercive techniques developed for equilibrium Langevin dynamics. The Hamiltonian and overdamped…

We study the global well-posedness and asymptotic behavior for a semilinear damped wave equation with Neumann boundary conditions, modelling a one-dimensional linearly elastic body interacting with a rigid substrate through an adhesive…

We study the mathematical properties of a nonequilibrium Langevin dynamics which can be used to estimate the shear viscosity of a system. More precisely, we prove a linear response result which allows to relate averages over the…

Given nonstationary data from molecular dynamics simulations, a Markovian Langevin model is constructed that aims to reproduce the time evolution of the underlying process. While at equilibrium the free energy landscape is sampled,…

We unify the variational hypocoercivity framework established by D. Albritton, S. Armstrong, J.-C. Mourrat, and M. Novack, with the notion of second-order lifts of reversible diffusion processes, recently introduced by A. Eberle and F.…

Our study of a basic model for incompressible two-phase flows with phase transitions consistent with thermodynamics in the case of constant but non-equal densities of the phases, begun by the first two authors is continued. We extend our…

The present study is based on a recent success of the second-order stochastic fluctuation theory in describing time autocorrelations of equilibrium and nonequilibrium physical systems. In particular, it was shown to yield values of the…

A major stumbling block for statistical physics and materials science has been the lack of a uni- versal principle that allows us to understand and predict elementary structural, morphological, and dynamical properties of non-equilibrium…

This work presents a generalization of the Kraynik-Reinelt (KR) boundary conditions for nonequilibrium molecular dynamics simulations. In the simulation of steady, homogeneous flows with periodic boundary conditions, the simulation box…

Nonlinear tranlational symmetric equilibria with up to quartic flux terms in the free functions, reversed magnetic shear and sheared flow are constructed in two ways: i) quasianalytically by an ansatz which reduces the pertinent generalized…

A transformed primal-dual (TPD) flow is developed for a class of nonlinear smooth saddle point system. The flow for the dual variable contains a Schur complement which is strongly convex. Exponential stability of the saddle point is…

We investigate the convergence of McKean-Vlasov diffusions in a nonconvex landscape. These processes are linked to nonlinear partial differential equations. According to our previous results, there are at least three stationary measures…

We study a simplified system of the original Ericksen--Leslie equations for the flow of nematic liquid crystals. This is a coupled non-parabolic dissipative dynamic system. We show the convergence of global classical solutions to single…

Boundedness is an important property of many physical systems. This includes incompressible fluid flows, which are often modeled by quadratic dynamics with an energy-preserving nonlinearity. For such systems, Schlegel and Noack proposed a…

We simulate by lattice Boltzmann the steady shearing of a binary fluid mixture undergoing phase separation with full hydrodynamics in two dimensions. Contrary to some theoretical scenarios, a dynamical steady state is attained with finite…

The generalized stochastic Loewner evolution (SLE) driven by reversible Langevin dynamics was theoretically investigated in the context of non-equilibrium statistical mechanics. The recent study of the authors revealed that the Loewner…

We study a system of two coupled nonlinear parabolic equations. It constitutes a variant of the Keller-Segel model for chemotaxis, i.e. it models the behaviour of a population of bacteria that interact by means of a signalling substance. We…